2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C46H44Br3F11N8O5 — CID 165103022

About 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 165103022) has the molecular formula C46H44Br3F11N8O5 and a molecular weight of 1237.60 g/mol. Its IUPAC name is 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
• PubChem CID: 165103022
• Molecular Formula: C46H44Br3F11N8O5
• Molecular Weight: 1237.60 g/mol
• Exact Mass: 1234.08
• IUPAC Name: 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
• SMILES: FC(F)(F)c1cc2nc(C3CCOCC3)cn2cc1Br.Nc1cc(C(F)(F)F)c(Br)cn1.O=C(CBr)C1CCOCC1.O=C(Nc1cn2cc(C3CCOCC3)nc2cc1C(F)(F)F)c1cccc(C(F)F)n1
• InChI: InChI=1S/C20H17F5N4O2.C13H12BrF3N2O.C7H11BrO2.C6H4BrF3N2/c21-18(22)13-2-1-3-14(26-13)19(30)28-16-10-29-9-15(11-4-6-31-7-5-11)27-17(29)8-12(16)20(23,24)25;14-10-6-19-7-11(8-1-3-20-4-2-8)18-12(19)5-9(10)13(15,16)17;8-5-7(9)6-1-3-10-4-2-6;7-4-2-12-5(11)1-3(4)6(8,9)10/h1-3,8-11,18H,4-7H2,(H,28,30);5-8H,1-4H2;6H,1-5H2;1-2H,(H2,11,12)
• InChIKey: YQQZVNRFHMBABD-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 160.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1237.60
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?

The IUPAC name of 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 165103022) is 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?

The canonical SMILES for 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is FC(F)(F)c1cc2nc(C3CCOCC3)cn2cc1Br.Nc1cc(C(F)(F)F)c(Br)cn1.O=C(CBr)C1CCOCC1.O=C(Nc1cn2cc(C3CCOCC3)nc2cc1C(F)(F)F)c1cccc(C(F)F)n1.

What is the InChIKey of 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?

The InChIKey is YQQZVNRFHMBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N4O2.C13H12BrF3N2O.C7H11BrO2.C6H4BrF3N2/c21-18(22)13-2-1-3-14(26-13)19(30)28-16-10-29-9-15(11-4-6-31-7-5-11)27-17(29)8-12(16)20(23,24)25;14-10-6-19-7-11(8-1-3-20-4-2-8)18-12(19)5-9(10)13(15,16)17;8-5-7(9)6-1-3-10-4-2-6;7-4-2-12-5(11)1-3(4)6(8,9)10/h1-3,8-11,18H,4-7H2,(H,28,30);5-8H,1-4H2;6H,1-5H2;1-2H,(H2,11,12).

What are the key properties of 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?

2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 1237.60 g/mol, XLogP of 12.66, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165103022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).